phenethyl 4-[[4-(dipropylsulfamoyl)phenyl]carbamothioylamino]-4-oxidanylidene-butanoate

Systemtic Name: phenethyl 4-[[4-(dipropylsulfamoyl)phenyl]carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: phenethyl 4-[[4-(dipropylsulfamoyl)phenyl]carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[[4-(dipropylsulfamoyl)anilino]-sulfanylidenemethyl]amino]-4-oxobutanoic acid phenethyl ester IUPAC Name: phenethyl 4-[[4-(dipropylsulfamoyl)phenyl]carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[[4-(dipropylsulfamoyl)phenyl]thiocarbamoylamino]-4-keto-butyric acid phenethyl ester Formula: C25H33N3O5S2 MolecularWeight: 519.67662

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCC)S(=O)(=O)C1=CC=C(C=C1)NC(=S)NC(=O)CCC(=O)OCCC2=CC=CC=C2

Isomeric SMILES

CCCN(CCC)S(=O)(=O)C1=CC=C(C=C1)NC(=S)NC(=O)CCC(=O)OCCC2=CC=CC=C2

InChI

InChI=1S/C25H33N3O5S2/c1-3-17-28(18-4-2)35(31,32)22-12-10-21(11-13-22)26-25(34)27-23(29)14-15-24(30)33-19-16-20-8-6-5-7-9-20/h5-13H,3-4,14-19H2,1-2H3,(H2,26,27,29,34)